Posted by Takao Kobayashi on May 22, 2008 at 07:35:04:
Dear MOLCAS users,
Is it possible to perform the RASSCF calculation in which ONLY DOUBLY excitations are included (singly excitations are NOT included) by MOLCAS6?
Best regards,Takao Kobayashi
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if B is 1s22s22p1, what is Li?
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Comments: : Dear MOLCAS users, : Is it possible to perform the RASSCF calculation in which ONLY DOUBLY excitations are included (singly excitations are NOT included) by MOLCAS6? : Best regards, : Takao Kobayashi